UCSF

ZINC07603938

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 7th, 2006 20 Yes

Popular Name: 4-[(4-Bromobenzyl)oxy]-3-methoxybenzoic acid 4-[(4-Bromobenzyl)oxy]-3-methoxy…

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CAS Numbers: 113457-37-7 , [113457-37-7]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.90 0.55 -49.67 0 4 -1 58 336.161 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 224 - 226 Enamine Building Blocks
MP 224...226 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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Analogs ( Draw Identity 99% 90% 80% 70% )